butane;quinoxaline

C12H16N2 — CID 143489739

IUPACbutane;quinoxaline
SMILESCCCC.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H10/c1-2-4-8-7(3-1)9-5-6-10-8;1-3-4-2/h1-6H;3-4H2,1-2H3
InChIKeyGLIJLINFTFZFAC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.44
Rot. Bonds1

About butane;quinoxaline

butane;quinoxaline (PubChem CID 143489739) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is butane;quinoxaline.

Molecular Properties

Compound Namebutane;quinoxaline
PubChem CID143489739
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namebutane;quinoxaline
SMILESCCCC.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H10/c1-2-4-8-7(3-1)9-5-6-10-8;1-3-4-2/h1-6H;3-4H2,1-2H3
InChIKeyGLIJLINFTFZFAC-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26124
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CID 61670
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CID 7045
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CID 11375
CID 11375
CID 16925
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CID 11359
CID 11359
CID 23686
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CID 242567
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CID 5374802
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CID 2048
CID 2048

Frequently Asked Questions

What is the IUPAC name of butane;quinoxaline?
The IUPAC name of butane;quinoxaline (CID 143489739) is butane;quinoxaline.
What is the SMILES notation for butane;quinoxaline?
The canonical SMILES for butane;quinoxaline is CCCC.c1ccc2nccnc2c1.
What is the InChIKey of butane;quinoxaline?
The InChIKey is GLIJLINFTFZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C4H10/c1-2-4-8-7(3-1)9-5-6-10-8;1-3-4-2/h1-6H;3-4H2,1-2H3.
What are the key properties of butane;quinoxaline?
butane;quinoxaline has a molecular weight of 188.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;quinoxaline is sourced from PubChem (CID 143489739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).